2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclopentyl-5-fluoro-6-methylindole-3-carboxylic acid

C24H28FN3O4S — CID 66730600

IUPAC2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclopentyl-5-fluoro-6-methylindole-3-carboxylic acid
SMILESCc1cc2c(cc1F)c(C(=O)O)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2C1CCCC1
InChIInChI=1S/C24H28FN3O4S/c1-14-11-20-17(12-18(14)25)21(23(29)30)22(28(20)15-7-5-6-8-15)19-10-9-16(13-26-19)33(31,32)27-24(2,3)4/h9-13,15,27H,5-8H2,1-4H3,(H,29,30)
InChIKeyWZEIEDFTCYXLKP-UHFFFAOYSA-N
MW473.57 g/mol
LogP5.04
Rot. Bonds5

About 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclopentyl-5-fluoro-6-methylindole-3-carboxylic acid

2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclopentyl-5-fluoro-6-methylindole-3-carboxylic acid (PubChem CID 66730600) has the molecular formula C24H28FN3O4S and a molecular weight of 473.57 g/mol. Its IUPAC name is 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclopentyl-5-fluoro-6-methylindole-3-carboxylic acid.

Molecular Properties

Compound Name2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclopentyl-5-fluoro-6-methylindole-3-carboxylic acid
PubChem CID66730600
Molecular FormulaC24H28FN3O4S
Molecular Weight473.57 g/mol
Exact Mass473.18
IUPAC Name2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclopentyl-5-fluoro-6-methylindole-3-carboxylic acid
SMILESCc1cc2c(cc1F)c(C(=O)O)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2C1CCCC1
InChIInChI=1S/C24H28FN3O4S/c1-14-11-20-17(12-18(14)25)21(23(29)30)22(28(20)15-7-5-6-8-15)19-10-9-16(13-26-19)33(31,32)27-24(2,3)4/h9-13,15,27H,5-8H2,1-4H3,(H,29,30)
InChIKeyWZEIEDFTCYXLKP-UHFFFAOYSA-N
XLogP5.04
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.57
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclopentyl-5-fluoro-6-methylindole-3-carboxylic acid?
The IUPAC name of 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclopentyl-5-fluoro-6-methylindole-3-carboxylic acid (CID 66730600) is 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclopentyl-5-fluoro-6-methylindole-3-carboxylic acid.
What is the SMILES notation for 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclopentyl-5-fluoro-6-methylindole-3-carboxylic acid?
The canonical SMILES for 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclopentyl-5-fluoro-6-methylindole-3-carboxylic acid is Cc1cc2c(cc1F)c(C(=O)O)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2C1CCCC1.
What is the InChIKey of 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclopentyl-5-fluoro-6-methylindole-3-carboxylic acid?
The InChIKey is WZEIEDFTCYXLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O4S/c1-14-11-20-17(12-18(14)25)21(23(29)30)22(28(20)15-7-5-6-8-15)19-10-9-16(13-26-19)33(31,32)27-24(2,3)4/h9-13,15,27H,5-8H2,1-4H3,(H,29,30).
What are the key properties of 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclopentyl-5-fluoro-6-methylindole-3-carboxylic acid?
2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclopentyl-5-fluoro-6-methylindole-3-carboxylic acid has a molecular weight of 473.57 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-cyclopentyl-5-fluoro-6-methylindole-3-carboxylic acid is sourced from PubChem (CID 66730600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).